| CAS Number | 1803588-53-5 |
| Catalog Number | AG01BFOQ(AGN-PC-0WOVJJ) |
| Chemical Name | 3-fluoro-3-(trifluoromethyl)azetidine hydrochloride |
| IUPAC Name | 3-fluoro-3-(trifluoromethyl)azetidine;hydrochloride |
| InChI | InChI=1S/C4H5F4N.ClH/c5-3(1-9-2-3)4(6,7)8;/h9H,1-2H2;1H |
| InChI Key | VQHWBOJSPNJTFT-UHFFFAOYSA-N |
| MDL Number | MFCD28118672 |
| Molecular Formula | C4H6ClF4N |
| Molecular Weight | 179.5438 |
| SMILES | FC(C1(F)CNC1)(F)F.Cl |
| Synonyms | 3-fluoro-3-(trifluoromethyl)azetidine hydrochloride,
1803588-53-5,
AKOS026744558,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.543g/mol |
| Monoisotopic Mass | 179.012g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number